CID 14300

4-nitropyridine n-oxide

Structural Information

Molecular Formula
C5H4N2O3
SMILES
C1=C[N+](=CC=C1[N+](=O)[O-])[O-]
InChI
InChI=1S/C5H4N2O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H
InChIKey
RXKNNAKAVAHBNK-UHFFFAOYSA-N
Compound name
4-nitro-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

14
References

1033
Patents

140.02219 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.02947 125.9
[M+Na]+ 163.01141 133.9
[M-H]- 139.01491 127.6
[M+NH4]+ 158.05601 143.9
[M+K]+ 178.98535 124.3
[M+H-H2O]+ 123.01945 129.3
[M+HCOO]- 185.02039 150.2
[M+CH3COO]- 199.03604 158.7
[M+Na-2H]- 160.99686 137.3
[M]+ 140.02164 121.7
[M]- 140.02274 121.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe